NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8359 8.2827 118.1656 52.3037 38.9366 174.2356 2 L 3.9394 7.9395 117.5562 57.8682 41.8907 177.4822 3 Q 3.8166 8.8953 120.3041 59.0035 29.4416 177.4673 4 Q 4.1108 8.4672 119.4624 58.3692 28.7428 178.1628 5 F 4.3561 8.2061 121.9898 61.0458 39.0607 177.2454 6 K 3.5894 8.2026 118.5074 59.7246 31.8799 179.0632 7 N 4.4799 7.9571 115.9552 56.5519 38.3346 177.3458 8 M 4.1213 8.1472 120.1672 58.3800 31.9139 178.8201 9 I 3.6277 7.5236 119.8773 64.6309 37.0993 178.5716 10 Q 4.0511 7.5910 116.1919 58.8547 28.8754 177.7717 11 C 4.4098 8.2778 119.4894 59.8464 43.6088 175.5310 12 A 4.3035 7.7867 122.7689 52.9500 18.4522 176.5378 13 G 4.1650 8.2073 105.5225 44.2079 0.0000 173.3502 *15 T 4.5703 8.2164 112.9177 63.4404 70.2010 174.8258 *17 R 4.0396 7.8858 116.8897 56.1962 31.4127 175.4051 18 T 4.5501 7.7967 111.4871 59.9206 71.0203 175.4227 19 W 4.5199 8.9113 118.3496 60.0874 27.6897 178.1810 20 T 3.1633 6.8851 109.7193 64.0971 67.7325 176.0318 21 A 3.7148 7.2872 122.6067 54.7834 18.4917 178.3348 22 Y 4.4139 7.5619 112.9473 58.4909 38.1565 177.3278 23 I 3.9336 7.3231 120.6166 63.4763 38.3007 175.2581 24 N 5.1435 8.0306 117.3471 52.6256 37.4066 172.7352 25 Y 4.4167 8.0935 119.3508 57.7669 41.4539 175.9181 26 G 4.0277 7.7072 115.9723 46.8213 0.0000 172.6388 27 C 4.4727 9.2556 114.9021 58.0574 40.9670 174.8558 28 Y 4.2761 8.3306 115.2610 58.3281 39.9510 175.8041 29 C 4.4532 8.1202 117.5003 58.1839 40.5747 173.9759 30 G 4.0155 9.0554 109.9928 44.1511 0.0000 172.5453 31 K 3.8844 8.3692 119.4566 57.3154 32.5290 177.8202 32 G 3.9274 8.5931 112.7580 45.1102 0.0000 172.2188 33 G 4.5267 7.5746 115.5423 45.4426 0.0000 172.1061 34 S 4.5075 7.2077 118.0737 57.8677 66.0787 175.2246 35 G 3.8477 8.8487 108.4212 44.9377 0.0000 172.2095 36 T 4.4099 8.1023 115.1202 61.4729 69.7307 173.1061 37 P 4.6903 0.0000 0.0000 62.7742 31.8106 177.3456 38 V 3.7739 8.7851 116.4779 63.9421 31.9606 175.6342 39 D 4.5623 7.7983 118.0630 51.1962 42.9316 175.2503 40 K 3.7622 8.7118 119.1054 60.1457 31.9225 177.5705 41 L 3.9395 8.0082 119.3946 58.5614 41.8570 178.5808 42 D 4.5720 8.9090 117.8535 57.4348 41.1005 178.4077 43 R 3.8977 8.3181 118.9332 59.3248 29.9789 178.0229 44 C 4.2693 8.3101 116.3269 60.6828 36.1899 175.8123 45 C 4.4975 8.4469 117.4698 60.0803 36.7717 175.3524 46 Y 3.8807 8.3289 121.4470 61.0959 38.3217 178.4147 47 T 3.7196 8.4488 116.6816 67.0227 68.6556 175.8851 48 H 3.8374 8.4227 120.2373 59.3953 29.7500 176.5939 49 D 4.1610 8.5684 119.8793 57.7740 41.0991 178.0728 50 H 4.2002 7.8864 116.4111 58.5347 28.5764 177.0266 51 C 4.3996 8.0908 120.8372 59.8312 43.2165 175.1929 52 Y 4.1169 7.7915 117.6191 60.8686 37.5774 177.4618 53 N 4.5770 8.1329 117.6818 56.9681 39.1534 177.0864 54 Q 3.9826 8.4037 119.1312 58.7140 28.8698 178.4540 55 A 3.5697 8.0832 121.9099 54.9489 18.1167 179.1686 56 D 4.6589 7.5006 117.7667 56.2416 40.9446 177.9976 57 S 4.3466 7.6379 113.8693 58.0809 63.0133 173.6048 58 I 4.2657 6.9223 124.0479 58.4478 38.5483 173.5330 59 P 4.2123 0.0000 0.0000 64.3074 31.6732 176.3404 60 G 3.8965 8.6172 110.5642 46.9697 0.0000 174.1875 61 C 4.6829 7.8628 118.3413 54.3177 44.2880 171.9257 62 N 5.1382 8.4025 126.4411 50.7211 40.2302 172.7874 63 P 3.7879 0.0000 0.0000 65.7147 31.4037 177.2096 64 N 4.5439 8.2998 115.7679 54.8274 39.0886 177.1857 65 I 3.9170 7.7953 117.6933 62.8725 37.9638 176.1123 66 K 3.7223 8.0388 121.7889 57.2255 32.0673 175.7030 67 T 4.3375 8.4310 123.5999 62.3158 69.4078 173.7439 68 Y 4.9388 7.8742 125.5320 55.2098 41.0670 174.2335 69 S 5.1249 8.6001 114.9529 57.3163 65.3094 173.2595 70 Y 5.3480 8.2688 120.8379 56.5699 40.7597 173.4572 71 T 4.4510 8.8678 114.1612 60.3389 71.3834 171.4375 72 C 5.4912 8.7233 126.2783 55.1158 44.4367 174.3016 73 T 4.5157 8.8828 122.5185 61.4651 68.4101 171.7193 74 Q 3.9118 7.6831 119.3152 55.0601 29.0096 175.7717 75 P 5.3504 0.0000 0.0000 62.1073 32.1250 174.4761 76 N 4.9687 8.6808 117.1122 52.5714 40.0198 173.9639 77 I 5.1312 8.2004 122.1290 59.8824 40.3832 175.0551 78 T 4.6396 8.8298 122.3049 62.0106 72.1210 172.2208 79 C 5.0444 8.9599 124.5568 56.2963 40.8356 173.6815 80 T 4.2160 8.5516 113.9273 61.9175 69.3674 175.5945 81 R 4.2791 7.9090 122.0930 56.6523 31.0799 175.4212 82 T 4.4035 8.4516 116.3940 65.3614 71.3266 175.4467 83 A 4.0172 8.1425 122.0823 55.1406 18.6735 178.0699 84 D 4.5573 7.9142 117.6298 53.0848 40.4156 176.0320 85 A 4.0059 8.4179 128.2602 55.1233 18.4376 179.3441 86 C 4.1151 8.2403 115.8737 59.7842 43.8772 175.1674 87 A 4.0765 8.6267 122.6277 55.2254 18.0168 179.2497 88 K 3.7365 8.3943 118.2471 59.7235 32.2621 178.5009 89 F 3.9081 8.6197 121.0197 61.3190 39.3490 176.8574 90 L 3.9780 8.3388 120.1562 58.2675 41.9054 178.0294 91 C 2.9255 7.9948 118.6706 59.1085 42.7810 175.3736 92 D 4.0907 7.6834 120.4258 57.4021 40.3204 177.6329 93 C 3.9141 7.7181 116.8793 60.3294 35.8745 176.0171 94 D 3.9686 7.9404 119.7815 57.4673 40.5443 178.9995 95 R 3.8996 8.2556 119.4282 59.5541 29.9853 178.6877 96 T 3.7358 8.0908 115.6176 66.4517 68.4972 176.3577 97 A 3.5079 7.9077 122.3595 54.9815 18.3589 179.2338 98 A 3.6576 8.3175 119.4391 55.4701 18.4068 180.0298 99 I 3.6297 7.7079 117.9150 64.6412 37.2442 177.6356 100 C 4.2162 8.5022 119.7280 60.0216 43.1669 175.6944 101 F 4.2174 8.5916 118.0736 60.6114 38.4741 177.2391 102 A 4.2468 7.7163 119.1936 55.1043 18.3398 179.4056 103 S 4.3019 8.1480 111.9248 59.4643 63.5380 174.8408 104 A 4.3616 7.4633 124.8461 50.6337 19.0770 175.5254 105 P 4.4058 0.0000 0.0000 62.7012 32.2112 175.6958 106 Y 4.1788 8.3881 121.4932 56.1522 38.7703 175.3928 107 N 4.7542 8.7334 127.3566 51.4711 37.6802 176.3594 108 I 3.2946 8.3005 118.0814 63.2678 37.7348 178.1731 109 N 4.3808 8.0769 117.3673 55.3727 38.7438 175.2153 110 N 4.5522 8.7560 116.4079 52.6603 38.7604 173.8949 111 I 4.1257 7.0153 120.3165 61.3962 38.4909 175.5710 112 M 3.0349 8.1122 125.4065 56.1465 28.8001 176.6549 113 I 4.5663 7.0001 108.8626 59.5837 40.0353 177.9444 114 S 3.9128 8.3223 115.9596 61.4300 62.4259 175.0687 115 A 4.3526 7.7681 120.2769 51.7611 18.8440 176.8046 116 S 4.5447 7.9297 112.8526 56.8166 64.5876 174.6577 117 N 4.4991 8.4944 116.9184 54.8842 37.0829 176.2058 118 S 4.3017 7.7546 113.2231 60.4193 63.4272 174.1098 119 C 4.9138 7.6419 117.6916 56.7635 40.5908 173.7839 120 Q 4.2144 8.0894 124.1725 56.1349 28.5223 175.7916 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 N 8.28 4.84 0.00 3.18 3.24 0.00 0.00 5.75 5.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.94 3.94 0.00 1.82 1.70 1.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.90 3.82 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 4 Q 8.47 4.11 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 5 F 8.21 4.36 0.00 3.42 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.20 3.59 0.00 1.70 1.42 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.56 1.23 7.81 7 N 7.96 4.48 0.00 2.91 3.00 0.00 0.00 7.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.15 4.12 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 9 I 7.52 3.63 2.05 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.12 1.15 0.00 0.00 10 Q 7.59 4.05 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 11 C 8.28 4.41 0.00 3.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.79 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.21 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 T 8.22 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 *17 R 7.89 4.04 0.00 1.76 1.50 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.39 0.00 18 T 7.80 4.55 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 19 W 8.91 4.52 0.00 3.70 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 6.89 3.16 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 21 A 7.29 3.71 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.56 4.41 0.00 3.13 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.32 3.93 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.02 0.91 0.00 0.00 24 N 8.03 5.14 0.00 2.94 2.96 0.00 0.00 5.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.09 4.42 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.71 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.26 4.47 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.33 4.28 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.12 4.45 0.00 3.41 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.37 3.88 0.00 1.80 1.79 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 32 G 8.59 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.57 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.21 4.51 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.10 4.41 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 37 P 0.00 4.69 0.00 1.89 2.05 0.00 3.38 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.37 0.00 38 V 8.79 3.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.97 0.00 0.00 39 D 7.80 4.56 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.71 3.76 0.00 1.87 1.90 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.56 7.81 41 L 8.01 3.94 0.00 1.80 1.56 0.44 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.91 4.57 0.00 3.24 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.32 3.90 0.00 2.23 2.00 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 44 C 8.31 4.27 0.00 3.60 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.45 4.50 0.00 3.42 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.33 3.88 0.00 2.67 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.45 3.72 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 48 H 8.42 3.84 0.00 2.94 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.57 4.16 0.00 2.91 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 7.89 4.20 0.00 3.18 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.09 4.40 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.79 4.12 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.13 4.58 0.00 2.95 3.03 0.00 0.00 7.20 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.40 3.98 0.00 2.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 55 A 8.08 3.57 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.50 4.66 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.64 4.35 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 6.92 4.27 1.79 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.67 0.80 0.00 0.00 59 P 0.00 4.21 0.00 2.00 1.97 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 60 G 8.62 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.86 4.68 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.40 5.14 0.00 2.67 2.58 0.00 0.00 6.86 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 3.79 0.00 0.78 1.42 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 64 N 8.30 4.54 0.00 2.89 2.90 0.00 0.00 6.95 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.80 3.92 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.88 0.00 0.00 66 K 8.04 3.72 0.00 1.93 1.81 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 67 T 8.43 4.34 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 68 Y 7.87 4.94 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.60 5.12 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.27 5.35 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.87 4.45 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 72 C 8.72 5.49 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.88 4.52 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 74 Q 7.68 3.91 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.56 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 75 P 0.00 5.35 0.00 2.23 2.26 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 76 N 8.68 4.97 0.00 2.84 2.78 0.00 0.00 6.82 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.20 5.13 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.99 0.00 0.00 78 T 8.83 4.64 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 79 C 8.96 5.04 0.00 2.81 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.55 4.22 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 81 R 7.91 4.28 0.00 1.85 1.94 0.00 3.38 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 82 T 8.45 4.40 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 83 A 8.14 4.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.91 4.56 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.42 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.24 4.12 0.00 2.97 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.63 4.08 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.39 3.74 0.00 1.91 2.10 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.57 7.81 89 F 8.62 3.91 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.34 3.98 0.00 2.09 1.70 0.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 C 7.99 2.93 0.00 2.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.68 4.09 0.00 2.75 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.72 3.91 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.94 3.97 0.00 2.79 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.26 3.90 0.00 1.75 1.87 0.00 3.07 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 96 T 8.09 3.74 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 97 A 7.91 3.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.32 3.66 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.71 3.63 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 0.91 0.00 0.00 100 C 8.50 4.22 0.00 3.09 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.59 4.22 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.72 4.25 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.15 4.30 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.46 4.36 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.41 0.00 2.24 2.10 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 106 Y 8.39 4.18 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.73 4.75 0.00 2.86 2.92 0.00 0.00 6.46 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.30 3.29 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.13 1.13 0.00 0.00 109 N 8.08 4.38 0.00 2.67 2.88 0.00 0.00 6.85 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.76 4.55 0.00 2.08 2.15 0.00 0.00 6.79 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.02 4.13 1.82 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 1.02 0.00 0.00 112 M 8.11 3.03 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 113 I 7.00 4.57 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.79 0.00 0.00 114 S 8.32 3.91 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.77 4.35 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 7.93 4.54 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.49 4.50 0.00 2.82 2.98 0.00 0.00 5.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.75 4.30 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 7.64 4.91 0.00 3.08 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.09 4.21 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.